CID 426972

4-formyl-1-methylpyridin-1-ium iodide

Structural Information

Molecular Formula
C7H8NO
SMILES
C[N+]1=CC=C(C=C1)C=O
InChI
InChI=1S/C7H8NO/c1-8-4-2-7(6-9)3-5-8/h2-6H,1H3/q+1
InChIKey
ANRUYQWAIMLNCS-UHFFFAOYSA-N
Compound name
1-methylpyridin-1-ium-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

420
Patents

122.06059 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06787 121.3
[M+Na]+ 145.04981 130.9
[M-H]- 121.05331 124.5
[M+NH4]+ 140.09441 142.4
[M+K]+ 161.02375 124.0
[M+H-H2O]+ 105.05785 118.4
[M+HCOO]- 167.05879 145.5
[M+CH3COO]- 181.07444 163.5
[M+Na-2H]- 143.03526 132.3
[M]+ 122.06004 120.9
[M]- 122.06114 120.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe